N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 845673
• 分子式: C17H19N5O2
• 平均质量: 325.36506
• 单一同位素质量: 325.15387487
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N(Cc1nc(no1)C1CC1)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)N(Cc1onc(n1)C1CC1)C)C
• InChI: InChI=1S/C17H19N5O2/c1-10-6-7-22-13(8-10)18-11(2)15(22)17(23)21(3)9-14-19-16(20-24-14)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3
• InChIKey: DLAZYQBITVKBNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.6352623
• LogD (pH = 7.4): 1.7053831
• Log P: 1.7063581
• 摩尔折射率: 90.8977 cm^3
• 极化性: 32.80876 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.85
• LOG S: -2.3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4